NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.2070 8.3449 121.7109 55.9406 30.1837 174.5269 3 T 4.0590 8.3590 121.6807 61.8931 69.0471 172.3378 4 P 4.4445 0.0000 0.0000 62.9055 33.8159 174.6727 5 H 5.5715 9.4640 121.2000 54.2114 31.3707 173.1564 6 I 4.7731 8.9042 124.6019 59.2575 40.2717 174.2620 7 L 5.0860 8.7363 129.4774 53.4115 44.0026 174.7854 8 I 4.6732 8.5626 120.9666 59.4253 39.6706 174.8432 9 V 4.6479 8.4352 128.4291 61.6749 31.7052 174.5209 10 E 4.7555 9.0537 128.7089 55.4705 32.8698 175.4810 11 D 4.5453 9.0200 126.3268 54.6359 40.6297 176.6328 12 E 4.3842 8.6034 121.4595 54.7721 30.6379 176.1883 13 L 3.9265 8.6214 126.2138 58.5546 42.1516 179.1649 14 V 3.5920 7.7796 117.2856 66.3502 31.3997 177.9498 15 T 3.9641 7.8813 115.0048 66.6555 68.3338 176.7180 16 R 3.9639 8.3322 120.2872 59.3532 30.0763 178.8984 17 N 4.3670 8.4349 116.3836 56.5239 38.4821 177.5979 18 T 3.8643 7.9060 117.0493 66.7557 68.6147 176.6924 19 L 4.0314 8.2689 121.0912 57.6153 41.5455 179.5330 20 K 4.0549 8.5610 120.2723 59.6453 32.2125 179.0888 21 S 4.1212 8.1681 114.5702 61.2241 62.7627 176.3272 22 I 3.5372 7.6593 122.8119 64.4377 37.1794 178.0946 23 F 4.3299 8.1914 118.2226 60.2443 38.7231 177.8541 24 E 4.1825 8.6467 118.5796 59.1562 29.0572 178.5450 25 A 4.1455 7.8731 118.2894 53.3738 18.4804 178.0637 26 E 4.2576 7.8220 116.1236 55.2796 30.0744 176.7168 27 G 3.9075 8.0599 107.7558 45.7684 0.0000 173.0945 28 Y 5.0867 7.4476 115.8740 56.8773 39.9181 174.5924 29 D 4.7310 8.8462 121.6288 53.3321 42.8037 175.6771 30 V 4.7167 8.1168 122.8992 61.2376 33.4792 174.5461 31 F 4.6973 9.7010 127.2267 55.8670 41.5868 174.6305 32 E 5.2706 8.7970 120.2701 54.5776 32.6436 175.1523 33 A 4.9113 9.0200 125.2201 50.5329 22.2075 176.7077 34 T 4.3632 9.6736 110.8062 61.3392 69.8100 173.7552 35 D 4.5512 7.4018 119.9040 52.6585 41.7358 175.2473 36 G 3.6535 8.7065 107.3351 48.6636 0.0000 175.1675 37 A 4.1814 8.2600 122.7559 55.3185 18.8005 180.7922 38 E 3.9367 8.8501 115.2402 57.0286 29.2495 179.0095 *40 H 4.7184 8.3305 118.4618 55.9046 30.9951 176.0044 41 Q 3.9887 8.1902 118.0010 59.3214 28.5867 178.3155 42 I 3.8461 7.8531 122.0610 64.2626 36.9799 178.4543 43 L 4.0156 7.8619 118.0203 57.2770 41.5685 178.8315 44 S 4.3396 7.7222 112.2591 59.4697 63.4516 174.3666 45 E 4.2096 7.5017 122.0491 56.3265 30.8910 175.1833 46 Y 4.8391 7.4689 114.3766 55.5240 41.6258 174.8618 47 D 4.4557 8.6830 122.6881 54.5060 41.5138 176.1692 48 I 4.5021 8.0012 123.3621 59.7920 40.4200 174.7485 49 N 4.7739 9.0038 122.2329 53.6677 40.2211 175.1337 50 L 4.5349 7.4759 120.0897 53.7676 45.8410 173.7313 51 V 4.6027 8.6226 126.4154 61.3701 33.8230 175.0172 52 I 4.2277 8.5824 128.4990 59.5585 40.6230 173.7666 *54 D 5.1014 8.1964 121.0229 55.2062 42.2516 175.9817 55 I 4.0328 8.3035 122.7398 63.4853 38.0702 176.0204 56 N 4.9125 7.9888 120.4270 52.7214 37.7163 174.3662 57 L 4.9259 8.0124 122.3289 51.5746 45.8237 175.0712 58 P 4.3478 0.0000 0.0000 64.0495 32.5953 177.7678 59 G 3.9505 8.5910 107.4442 45.1498 0.0000 173.3828 60 K 4.0982 8.4629 122.8354 56.2718 32.8957 177.0829 61 N 4.9350 8.5804 120.6013 52.3107 39.7945 176.5581 62 G 4.0971 8.8383 109.4942 47.3367 0.0000 176.1834 63 L 4.2625 8.0975 120.8493 57.6964 41.7442 179.1565 64 L 3.9824 8.3419 120.2759 58.0658 42.0018 178.6250 65 L 3.9774 8.1262 118.8448 58.0584 41.5251 179.3730 66 A 3.9746 8.6466 120.6705 55.3356 18.0735 179.9153 67 R 3.9070 7.7742 115.4442 59.4434 30.4684 178.9135 68 E 4.1220 8.3899 118.4053 59.2120 29.4996 178.9507 69 L 3.9287 8.2232 120.7527 58.4531 41.9659 179.2842 70 R 4.3960 8.1568 119.7654 58.6202 30.0033 178.9211 71 E 4.2075 7.9155 117.6252 60.2193 29.8728 183.5225 72 Q 4.5070 8.0197 115.0598 56.9969 29.5521 175.6526 73 A 4.7013 7.6653 120.9328 50.8751 22.3626 175.6614 74 N 4.8778 8.4692 116.8361 52.1580 37.8455 175.2296 75 V 3.7242 7.7976 117.4829 62.5992 31.9420 175.5414 76 A 4.2182 8.5997 124.2161 53.1535 19.5363 176.1728 77 L 5.2882 8.5208 121.8178 53.2416 46.8149 174.3440 *79 F 4.5949 8.4221 117.5621 57.1958 40.9712 174.7304 80 L 4.9665 8.1686 123.3187 54.1529 44.7657 174.4893 81 T 4.8316 8.6068 120.5907 60.6009 70.9923 174.5791 82 G 3.9033 8.8536 114.8410 46.8752 0.0000 175.2522 83 R 4.2636 8.0211 120.5635 55.8452 28.0962 175.6534 84 D 4.8615 7.9269 122.7811 52.0573 40.4283 175.3326 85 N 5.0382 7.5665 119.4056 49.8746 41.9887 174.9890 86 E 3.8452 8.6940 122.3130 59.2651 29.6938 179.4951 87 V 3.4775 7.6412 117.8611 66.1515 31.8005 177.6471 88 D 4.2202 8.3611 118.6603 56.9499 40.6123 178.6539 89 K 2.0000 7.3643 119.6503 58.9129 32.1020 178.9574 90 I 3.6040 7.5158 119.9411 64.1526 36.9863 178.4048 91 L 4.0172 8.1456 120.3506 57.7608 41.5945 179.7315 92 G 3.5919 8.2316 105.8895 47.8149 0.0000 175.7148 93 L 4.1028 7.9469 121.4909 57.5150 41.4808 178.9881 94 E 3.9343 8.3262 118.3093 59.6292 29.6100 178.8389 95 I 3.9580 8.1284 118.7370 62.5927 37.0904 176.6883 96 G 4.1355 7.8513 107.8612 45.1875 0.0000 173.8980 97 A 4.1597 7.9287 122.6765 51.9513 18.8119 178.7080 98 D 4.5079 8.6366 122.0114 56.8474 41.1773 175.8386 99 D 4.6888 7.6212 115.9197 53.4498 44.1408 173.4645 100 Y 4.8600 8.3921 122.6645 56.4720 41.3861 173.8104 101 I 4.8144 8.7347 128.4104 59.6588 40.6534 174.9475 102 T 5.0561 8.6011 116.2981 60.4167 70.7132 174.1890 103 K 4.7898 8.5278 123.8316 55.1071 33.1240 175.3000 104 P 4.6759 0.0000 0.0000 62.1454 32.5132 175.1697 105 F 4.9824 7.5063 113.2213 54.2904 41.1057 174.3438 106 N 4.5457 8.6371 119.9673 52.5171 39.9229 174.2112 107 P 4.5394 0.0000 0.0000 65.7698 31.5100 178.8610 108 R 3.9397 8.3857 117.1269 59.0468 29.9384 178.7166 109 E 3.9458 8.2739 118.7338 59.0516 29.8066 178.2304 110 L 3.9821 7.9692 120.6896 58.6592 42.1480 179.2035 111 T 4.1481 8.0506 109.3653 64.6054 68.7346 176.8047 112 I 3.8237 8.0207 122.9635 64.1970 37.0834 178.4136 113 R 3.9641 8.1989 118.7814 59.1298 29.9146 178.9190 114 A 4.0260 8.2461 120.5014 55.1782 18.4068 179.6215 115 R 3.9272 8.2943 117.1825 59.8407 30.3582 178.4809 116 N 4.3456 8.6038 116.6805 56.1412 38.6244 177.1942 117 L 3.9632 8.2181 121.9160 58.2210 42.0049 179.0513 118 L 4.0527 8.1232 119.3484 57.3759 41.5800 179.3434 119 S 4.2632 8.1100 114.4048 61.6575 62.8174 176.6312 120 R 4.1473 7.7800 119.5083 57.8712 30.2700 176.7094 121 T 4.1640 7.6547 113.4617 61.5584 68.9312 173.9354 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 Q 8.34 4.21 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.95 0.00 0.00 0.00 0.00 0.00 2.17 2.35 0.00 3 T 8.36 4.06 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 4 P 0.00 4.44 0.00 1.04 1.46 0.00 3.65 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.96 0.00 5 H 9.46 5.57 0.00 3.13 3.23 0.00 5.58 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.90 4.77 1.72 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.57 0.37 0.00 0.00 7 L 8.74 5.09 0.00 1.70 1.46 1.03 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.56 4.67 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.60 0.94 0.00 0.00 9 V 8.44 4.65 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.88 0.00 0.00 10 E 9.05 4.76 0.00 2.10 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.42 0.00 11 D 9.02 4.55 0.00 2.84 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.60 4.38 0.00 2.13 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 13 L 8.62 3.93 0.00 1.76 1.69 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.78 3.59 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.94 0.00 0.00 15 T 7.88 3.96 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 16 R 8.33 3.96 0.00 2.04 2.13 0.00 3.21 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 17 N 8.43 4.37 0.00 2.93 2.87 0.00 0.00 7.04 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.91 3.86 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 19 L 8.27 4.03 0.00 1.91 1.92 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.56 4.05 0.00 1.93 1.99 0.00 1.62 0.00 0.00 1.67 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.45 7.81 21 S 8.17 4.12 0.00 4.09 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.66 3.54 1.74 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.57 0.34 0.00 0.00 23 F 8.19 4.33 0.00 3.15 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.65 4.18 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 25 A 7.87 4.15 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 7.82 4.26 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 27 G 8.06 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 7.45 5.09 0.00 3.01 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.85 4.73 0.00 2.59 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.12 4.72 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.10 0.00 0.00 31 F 9.70 4.70 0.00 2.88 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.80 5.27 0.00 1.81 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 33 A 9.02 4.91 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 9.67 4.36 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 35 D 7.40 4.55 0.00 2.78 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.71 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.26 4.18 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.85 3.94 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 *40 H 8.33 4.72 0.00 3.36 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.19 3.99 0.00 2.31 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 42 I 7.85 3.85 1.91 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.01 0.88 0.00 0.00 43 L 7.86 4.02 0.00 1.59 1.69 0.85 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.72 4.34 0.00 4.01 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 7.50 4.21 0.00 1.64 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 46 Y 7.47 4.84 0.00 2.61 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.68 4.46 0.00 2.63 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 8.00 4.50 1.76 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.71 0.81 0.00 0.00 49 N 9.00 4.77 0.00 2.37 2.73 0.00 0.00 6.78 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.48 4.53 0.00 1.57 1.24 0.82 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.62 4.60 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.83 0.00 0.00 52 I 8.58 4.23 1.80 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.75 0.86 0.00 0.00 *54 D 8.20 5.10 0.00 2.97 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.30 4.03 1.90 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.64 0.93 0.00 0.00 56 N 7.99 4.91 0.00 2.74 2.82 0.00 0.00 6.66 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.01 4.93 0.00 1.75 1.53 0.98 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.35 0.00 2.19 2.07 0.00 3.81 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 59 G 8.59 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.46 4.10 0.00 1.79 1.79 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.46 7.81 61 N 8.58 4.94 0.00 3.15 2.98 0.00 0.00 6.08 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.84 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.10 4.26 0.00 1.91 1.76 0.87 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.34 3.98 0.00 1.81 1.70 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.13 3.98 0.00 1.93 1.71 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.65 3.97 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 R 7.77 3.91 0.00 2.05 2.04 0.00 3.20 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 68 E 8.39 4.12 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 69 L 8.22 3.93 0.00 1.79 1.89 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 70 R 8.16 4.40 0.00 1.91 1.99 0.00 3.34 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 71 E 7.92 4.21 0.00 2.10 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.21 0.00 72 Q 8.02 4.51 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 2.51 2.36 0.00 73 A 7.67 4.70 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 N 8.47 4.88 0.00 2.77 2.86 0.00 0.00 6.08 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 V 7.80 3.72 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.90 0.00 0.00 76 A 8.60 4.22 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.52 5.29 0.00 1.63 1.38 0.57 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 *79 F 8.42 4.59 0.00 2.79 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.17 4.97 0.00 1.55 1.37 0.59 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.61 4.83 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 82 G 8.85 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 R 8.02 4.26 0.00 1.89 2.11 0.00 3.34 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 84 D 7.93 4.86 0.00 2.69 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 N 7.57 5.04 0.00 2.96 2.84 0.00 0.00 5.75 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.69 3.85 0.00 2.06 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 87 V 7.64 3.48 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.89 0.00 0.00 88 D 8.36 4.22 0.00 2.70 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 K 7.36 2.00 0.00 1.12 1.56 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.13 0.93 7.81 90 I 7.52 3.60 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.59 0.85 0.00 0.00 91 L 8.15 4.02 0.00 1.81 1.64 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.23 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.95 4.10 0.00 1.84 1.76 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.33 3.93 0.00 1.90 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 95 I 8.13 3.96 2.23 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.80 1.03 0.00 0.00 96 G 7.85 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 A 7.93 4.16 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 D 8.64 4.51 0.00 2.79 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 7.62 4.69 0.00 2.63 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 8.39 4.86 0.00 3.09 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 I 8.73 4.81 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.68 0.93 0.00 0.00 102 T 8.60 5.06 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 103 K 8.53 4.79 0.00 1.76 1.92 0.00 1.84 0.00 0.00 1.86 0.00 0.00 3.08 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.69 1.46 7.81 104 P 0.00 4.68 0.00 2.08 2.00 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 105 F 7.51 4.98 0.00 3.13 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 N 8.64 4.55 0.00 2.80 2.79 0.00 0.00 6.93 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 P 0.00 4.54 0.00 2.18 2.12 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 108 R 8.39 3.94 0.00 1.93 1.98 0.00 3.27 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 109 E 8.27 3.95 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 110 L 7.97 3.98 0.00 1.80 1.85 0.91 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.05 4.15 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 112 I 8.02 3.82 1.98 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.70 0.94 0.00 0.00 113 R 8.20 3.96 0.00 2.12 2.03 0.00 3.18 0.00 0.00 3.46 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 114 A 8.25 4.03 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 R 8.29 3.93 0.00 2.14 2.18 0.00 3.16 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 116 N 8.60 4.35 0.00 2.77 2.88 0.00 0.00 6.72 6.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 L 8.22 3.96 0.00 1.86 1.88 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.12 4.05 0.00 1.71 1.63 0.62 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 119 S 8.11 4.26 0.00 4.01 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 R 7.78 4.15 0.00 2.00 1.98 0.00 3.29 0.00 0.00 3.28 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 121 T 7.65 4.16 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.